Geometry & MOs

Info

ID:

435332

PubChem CID:

135191215

Reduced:

ON2C10H25 (1)

Stoich.:

AB2C10D25 (1)

Weight, g/mol:

223.217424

ΔHf, kcal/mol:

-38.06

Dipole, Da:

1.78

IP(EA), eV:

0.0(0.0)

Spin(Sz, S2):

0.500000, 0.750806

Charge, e:

1

Chem-info

IUPAC name:

cyclohexa-1,5-dien-1-ylmethyl-[3-(ethylamino)propyl]-dimethylazanium

Drug info:

PubChemData

Smile

CCNCCC[N+](C)(C)CCCO

DOS

IR

Vibrations